4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H10F4N2O2S — CID 45103702

IUPAC4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F4N2O2S/c11-3-4-16-6-15-19(17,18)9-5-7(10(12,13)14)1-2-8(9)16/h1-2,5,15H,3-4,6H2
InChIKeyVEHHOWNEWWHKJN-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.73
Rot. Bonds2

About 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 45103702) has the molecular formula C10H10F4N2O2S and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID45103702
Molecular FormulaC10H10F4N2O2S
Molecular Weight298.26 g/mol
Exact Mass298.04
IUPAC Name4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F4N2O2S/c11-3-4-16-6-15-19(17,18)9-5-7(10(12,13)14)1-2-8(9)16/h1-2,5,15H,3-4,6H2
InChIKeyVEHHOWNEWWHKJN-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 67531324
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
4-Cyclopropyl-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-carbonitrile
CID 67530629
3-fluoro-6a,7,8,9,10,11-hexahydro-6H-azepino[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
CID 2999527
4-Butyl-2-[2-(4-fluorophenyl)ethyl]-1,1-dioxo-7-(trifluoromethyl)-1lambda6,2,4-benzothiadiazin-3-one
CID 44602026
7-Fluoro-4-(2-fluoroethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 45103609
4-Cyclopropyl-7-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67529506
3-Propylamino-7-trifluoromethyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135412919
3-sec-Butylamino-7-trifluoromethyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135436591
3-Isopropylamino-7-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135442583
3-Isopropylamino-7-trifluoromethyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135471198

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 45103702) is 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(CCF)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is VEHHOWNEWWHKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2S/c11-3-4-16-6-15-19(17,18)9-5-7(10(12,13)14)1-2-8(9)16/h1-2,5,15H,3-4,6H2.
What are the key properties of 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 298.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-7-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 45103702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).